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1-[(4-Butylphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine

View entire compound with spectra: 2 NMR

1-[(4-Butylphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
SpectraBase Compound ID CmsPLRYPPZo
InChI InChI=1S/C20H25FN2O2S/c1-2-3-4-17-5-11-20(12-6-17)26(24,25)23-15-13-22(14-16-23)19-9-7-18(21)8-10-19/h5-12H,2-4,13-16H2,1H3
InChIKey YECUVPVDQRCHAV-UHFFFAOYSA-N
Mol Weight 376.49 g/mol
Molecular Formula C20H25FN2O2S
Exact Mass 376.162077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47Q1VGRZBYh
Name 1-[(4-Butylphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 376.162077388 u
Formula C20H25FN2O2S
InChI InChI=1S/C20H25FN2O2S/c1-2-3-4-17-5-11-20(12-6-17)26(24,25)23-15-13-22(14-16-23)19-9-7-18(21)8-10-19/h5-12H,2-4,13-16H2,1H3
InChIKey YECUVPVDQRCHAV-UHFFFAOYSA-N
Molecular Weight 376.490 g/mol
SMILES CCCCC=1C=CC(S(N2CCN(CC2)C=2C=CC(=CC2)F)(=O)=O)=CC1